5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride

C11H8BrClN2O3S2 — CID 107517313

IUPAC5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ncccc1Br
InChIInChI=1S/C11H8BrClN2O3S2/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(19-7)20(13,17)18/h1-5H,6H2,(H,15,16)
InChIKeyNONKCRUUCJUWSF-UHFFFAOYSA-N
MW395.69 g/mol
LogP2.76
Rot. Bonds4

About 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride

5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride (PubChem CID 107517313) has the molecular formula C11H8BrClN2O3S2 and a molecular weight of 395.69 g/mol. Its IUPAC name is 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
PubChem CID107517313
Molecular FormulaC11H8BrClN2O3S2
Molecular Weight395.69 g/mol
Exact Mass393.88
IUPAC Name5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ncccc1Br
InChIInChI=1S/C11H8BrClN2O3S2/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(19-7)20(13,17)18/h1-5H,6H2,(H,15,16)
InChIKeyNONKCRUUCJUWSF-UHFFFAOYSA-N
XLogP2.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519560
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519034
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173405
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107998188
5-[[(2-bromo-5-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362991
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43110433
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 47135355
5-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62958487

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride (CID 107517313) is 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride is O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ncccc1Br.
What is the InChIKey of 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride?
The InChIKey is NONKCRUUCJUWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O3S2/c12-8-2-1-5-14-10(8)11(16)15-6-7-3-4-9(19-7)20(13,17)18/h1-5H,6H2,(H,15,16).
What are the key properties of 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride?
5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride has a molecular weight of 395.69 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 107517313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).